1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea

C17H18N6O2 — CID 126775055

IUPAC1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea
SMILESCc1nc(C2(NC(=O)Nc3cccc(-c4ccn[nH]4)c3)CCC2)no1
InChIInChI=1S/C17H18N6O2/c1-11-19-15(23-25-11)17(7-3-8-17)21-16(24)20-13-5-2-4-12(10-13)14-6-9-18-22-14/h2,4-6,9-10H,3,7-8H2,1H3,(H,18,22)(H2,20,21,24)
InChIKeyLPZOPCOXJJJJDJ-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.97
Rot. Bonds4

About 1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea

1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea (PubChem CID 126775055) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea
PubChem CID126775055
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea
SMILESCc1nc(C2(NC(=O)Nc3cccc(-c4ccn[nH]4)c3)CCC2)no1
InChIInChI=1S/C17H18N6O2/c1-11-19-15(23-25-11)17(7-3-8-17)21-16(24)20-13-5-2-4-12(10-13)14-6-9-18-22-14/h2,4-6,9-10H,3,7-8H2,1H3,(H,18,22)(H2,20,21,24)
InChIKeyLPZOPCOXJJJJDJ-UHFFFAOYSA-N
XLogP2.97
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea?
The IUPAC name of 1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea (CID 126775055) is 1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea is Cc1nc(C2(NC(=O)Nc3cccc(-c4ccn[nH]4)c3)CCC2)no1.
What is the InChIKey of 1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea?
The InChIKey is LPZOPCOXJJJJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-11-19-15(23-25-11)17(7-3-8-17)21-16(24)20-13-5-2-4-12(10-13)14-6-9-18-22-14/h2,4-6,9-10H,3,7-8H2,1H3,(H,18,22)(H2,20,21,24).
What are the key properties of 1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea?
1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea has a molecular weight of 338.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea is sourced from PubChem (CID 126775055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).